Mol:FL4DBCGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.1686 1.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4469 1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1774 0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4630 -0.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7457 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7344 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0310 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6888 0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6956 1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0127 1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4357 1.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4446 2.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1653 2.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8753 2.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8689 1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1474 1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0310 -0.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8785 1.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3788 -0.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5607 1.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5465 2.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4630 -0.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5607 1.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3293 -1.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6337 -2.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8231 -1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3713 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0010 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8775 -1.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9675 -2.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5016 -2.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5977 -0.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
4 22 1 0 0 0 0
18 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
26 30 1 0 0 0 0
25 31 1 0 0 0 0
27 32 1 0 0 0 0
28 19 1 0 0 0 0
S SKP 5
ID FL4DBCGS0001
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(OC)3)O)c(c1)cc(c(O)c1)O
M END
